![CAS 2306276-69-5 2,5-Dioxaspiro[3.4]octane-7-methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2306276-69-5.gif)
CAS RN: 2306276-69-5
2,5-Dioxaspiro[3.4]octane-7-methanol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260324 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2306276-69-5
- Purity/Analytical Methods: >99.0%
2306276-69-5 / 2,5-dioxaspiro[3.4]octan-7-ylmethanol
Basic Information
CAS
2306276-69-5
Multi CAS
No
Molecular Formula
C7H12O3
Molecular Weight
144.170000
Exact Mass
144.078644
SMILES
C1C(COC12COC2)CO
InChI
InChI=1S/C7H12O3/c8-2-6-1-7(10-3-6)4-9-5-7/h6,8H,1-5H2
InChIKey
JLFQZWISCATFAQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.69
TPSA
38.69
LogP / Solubility
WLOGP
-0.22
MLOGP
-0.2
XLogP3
-0.7
Consensus LogP
-0.37
Log S (ESOL)
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
-0.59
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.54
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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